SCHEMBL7542665

SCHEMBL7542665

COc1ccnc(N2CN3CCN(C(=O)Nc4ccccc4)CC3C2C)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.47
HCRTR2 O43614 9/20 0.47
GAA P10253 2/20 0.45
ALDH1A1 P00352 3/20 0.40
CHRM4 P08173 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
PDGFRB P09619 1/20 0.38
FAAH O00519 1/20 0.38
PDE10A Q9Y233 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7547447 0.80 LCK (0.56)
SCHEMBL6655484 0.65 SLC6A7 (0.62) HCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL1671948 0.64 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL26986179 0.64 GAA (1.00) HCRTR1GAAALDH1A1KDM4EPOLB
SCHEMBL2790983 0.64 CHRM4 (0.51) HCRTR1HCRTR2GAAALDH1A1CHRM4
SCHEMBL13229571 0.64 CHRM4 (0.51) HCRTR1HCRTR2GAAALDH1A1CHRM4
SCHEMBL6674771 0.63 L3MBTL1 (0.59) HCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL2897923 0.62 KDM4E (0.77) HCRTR1GAAALDH1A1KDM4ENPSR1
SCHEMBL10729724 0.62 KDM4E (0.77) HCRTR1GAAALDH1A1KDM4ENPSR1
SCHEMBL6657811 0.62 HCRTR1 (0.59) HCRTR1HCRTR2ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194152-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-11-06 EP disclosed
EP-1194152-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-6316444-B1 SRC kinase inhibitor compounds MERCK & CO., INC. 2001-11-13 US disclosed
WO-2001000214-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed